Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 5/20 | 0.72 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.47 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.45 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.45 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.45 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.44 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.43 |
| ▸ | F7 | P08709 | 1/20 | 0.43 |
| ▸ | LTA4H | P09960 | 1/20 | 0.43 |
| ▸ | F3 | P13726 | 1/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | RAD51 | Q06609 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | GUSB | P08236 | 1/20 | 0.40 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.40 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Quinoline SCHEMBL28212903 | 0.86 | AHR (0.54) | AHRNPC1CYP19A1CYP17A1CYP11B1 | |
| SCHEMBL228554 | 0.85 | AHR (1.00) | AHRNPC1CYP19A1GPR84NR4A2 | |
| SCHEMBL18805065 | 0.85 | AHR (1.00) | AHRNPC1CYP19A1GPR84NR4A2 | |
| Methane SCHEMBL27929619 | 0.83 | AHR (0.95) | AHRNPC1CYP19A1GPR84NR4A2 | |
| Biphenyl SCHEMBL27962699 | 0.82 | AHR (0.78) | AHRNPC1GPR84NR4A2CYP2A6 | |
| Cyanide SCHEMBL31107529 | 0.80 | AHR (0.88) | AHRNPC1CYP19A1GPR84NR4A2 | |
| Pyridine SCHEMBL28517339 | 0.79 | AHR (0.72) | AHRNPC1CYP19A1CYP17A1CYP11B1 | |
| Pyridine SCHEMBL28523689 | 0.79 | AHR (0.72) | AHRNPC1CYP19A1CYP17A1CYP11B1 | |
| Acetic Acid SCHEMBL6512763 | 0.77 | AHR (0.75) | AHRNPC1GPR84NR4A2CYP2A6 | |
| Quinoline SCHEMBL27717739 | 0.76 | AHR (0.62) | AHRNPC1CYP19A1GPR84NR4A2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112209915-A | Method for air oxidation of N-pyridine indoline compounds | 宁波大学 | 2021-01-12 | — | — | CN | disclosed |